(6-chloroimidazo[2,1-b][1,3]thiazol-5-yl) thiocyanate

C6H2ClN3S2 — CID 2386913

IUPAC(6-chloroimidazo[2,1-b][1,3]thiazol-5-yl) thiocyanate
SMILESN#CSc1c(Cl)nc2sccn12
InChIInChI=1S/C6H2ClN3S2/c7-4-5(12-3-8)10-1-2-11-6(10)9-4/h1-2H
InChIKeyZWJAZWIMNBEYOD-UHFFFAOYSA-N
MW215.69 g/mol
LogP2.62
Rot. Bonds1

About (6-chloroimidazo[2,1-b][1,3]thiazol-5-yl) thiocyanate

(6-chloroimidazo[2,1-b][1,3]thiazol-5-yl) thiocyanate (PubChem CID 2386913) has the molecular formula C6H2ClN3S2 and a molecular weight of 215.69 g/mol. Its IUPAC name is (6-chloroimidazo[2,1-b][1,3]thiazol-5-yl) thiocyanate.

Molecular Properties

Compound Name(6-chloroimidazo[2,1-b][1,3]thiazol-5-yl) thiocyanate
PubChem CID2386913
Molecular FormulaC6H2ClN3S2
Molecular Weight215.69 g/mol
Exact Mass214.94
IUPAC Name(6-chloroimidazo[2,1-b][1,3]thiazol-5-yl) thiocyanate
SMILESN#CSc1c(Cl)nc2sccn12
InChIInChI=1S/C6H2ClN3S2/c7-4-5(12-3-8)10-1-2-11-6(10)9-4/h1-2H
InChIKeyZWJAZWIMNBEYOD-UHFFFAOYSA-N
XLogP2.62
TPSA41.09 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.69
LogP ≤ 52.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'cyanate_/aminonitrile_/thiocyanate', 'substructure': 'N/A'}

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Related Compounds

6-Chloroimidazo(2,1-b)thiazole
CID 721582
Imidazo(2,1-b)thiazole
CID 817024
6-Bromoimidazo[2,1-b][1,3]thiazole
CID 329949
5-Bromoimidazo(2,1-b)(1,3)thiazole
CID 76848570
6-Chloroimidazo(2,1-b)(1,3)thiazole-5-sulfonyl chloride
CID 2799717
7-Bromoimidazo[4,3-b][1,3]thiazole
CID 21262349
5,7-Dibromoimidazo[4,3-b][1,3]thiazole
CID 21262441
2-Bromoimidazo[2,1-b][1,3]thiazole
CID 45158653
7-Fluoroimidazo[5,1-b]thiazole
CID 23449270
6-Chloro-5-nitroimidazo[2,1-b][1,3]thiazole
CID 301408
5,6-Dichloroimidazo(2,1-b)(1,3)thiazole
CID 28819335
5-Trifluoromethylimidazo[5,1-b]thiazole
CID 154926097

Frequently Asked Questions

What is the IUPAC name of (6-chloroimidazo[2,1-b][1,3]thiazol-5-yl) thiocyanate?
The IUPAC name of (6-chloroimidazo[2,1-b][1,3]thiazol-5-yl) thiocyanate (CID 2386913) is (6-chloroimidazo[2,1-b][1,3]thiazol-5-yl) thiocyanate.
What is the SMILES notation for (6-chloroimidazo[2,1-b][1,3]thiazol-5-yl) thiocyanate?
The canonical SMILES for (6-chloroimidazo[2,1-b][1,3]thiazol-5-yl) thiocyanate is N#CSc1c(Cl)nc2sccn12.
What is the InChIKey of (6-chloroimidazo[2,1-b][1,3]thiazol-5-yl) thiocyanate?
The InChIKey is ZWJAZWIMNBEYOD-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H2ClN3S2/c7-4-5(12-3-8)10-1-2-11-6(10)9-4/h1-2H.
What are the key properties of (6-chloroimidazo[2,1-b][1,3]thiazol-5-yl) thiocyanate?
(6-chloroimidazo[2,1-b][1,3]thiazol-5-yl) thiocyanate has a molecular weight of 215.69 g/mol, XLogP of 2.62, 1 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (6-chloroimidazo[2,1-b][1,3]thiazol-5-yl) thiocyanate is sourced from PubChem (CID 2386913), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).